3MJE
Structure of A-type Ketoreductases from Modular Polyketide Synthase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-06-25 |
Detector | ADSC QUANTUM 315r |
Spacegroup name | P 1 |
Unit cell lengths | 61.654, 63.762, 71.744 |
Unit cell angles | 72.99, 67.21, 89.79 |
Refinement procedure
Resolution | 62.760 - 1.360 |
R-factor | 0.203 |
Rwork | 0.202 |
R-free | 0.22500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3mjc |
RMSD bond length | 0.033 |
RMSD bond angle | 2.725 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASES |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 62.760 | 1.380 |
High resolution limit [Å] | 1.360 | 1.360 |
Rmerge | 0.048 | 0.264 |
Number of reflections | 191224 | |
<I/σ(I)> | 28.2 | 3.7 |
Completeness [%] | 93.3 | 90.6 |
Redundancy | 2 | 1.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.75 | 293 | 3.1 M ammonium sulfate, 200 mM NaCl, 100 mM sodium cacodylate, pH 6.75, VAPOR DIFFUSION, SITTING DROP, temperature 293K |